![N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide structure](/static/products/4550/4550-45-2.webp)
N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide
TL;DR: N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide (CAS 4550-45-2) is a chemical compound with molecular formula C25H20ClF5N4OS and molecular weight 554.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
Also Known As: N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide, N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
| Molecular Formula | C25H20ClF5N4OS |
|---|---|
| Molecular Weight | 554.10 g/mol |
| LogP | 5.79732 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 554.0967 |
| Heavy Atoms | 37 |
| Complexity | 1352.4235 |
Chemical Identifiers
| CAS Number | 4550-45-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl |
Product Overview
N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide (CAS 4550-45-2), with molecular formula C25H20ClF5N4OS and molecular weight 554.10 g/mol. IUPAC: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide.
Chemical Property Profile of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide
Property Insights of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide
The XLogP value of 5.79732 indicates that N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.61 Ų, N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide?
The CAS number of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide is 4550-45-2.
What is the molecular formula of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide?
The molecular formula of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide is C25H20ClF5N4OS.
What is the molecular weight of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide?
The molecular weight of N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide is 554.10 g/mol.
Where can I buy N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide?
You can request a quote for N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.